skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on YNiSn2 by Materials Project

Abstract

YNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Y–Ni bond distances ranging from 3.27–3.46 Å. There are a spread of Y–Sn bond distances ranging from 3.12–3.20 Å. In the second Y site, Y is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Y–Ni bond lengths are 3.11 Å. There are a spread of Y–Sn bond distances ranging from 3.16–3.52 Å. In the third Y site, Y is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.17 Å) and two longer (3.28 Å) Y–Ni bond lengths. There are a spread of Y–Sn bond distances ranging from 3.17–3.58 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Y and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.75 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometrymore » to three Y and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.50–2.77 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Y and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.66 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Y, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Y and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Y and two Ni atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to four Y and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Y, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Y and one Ni atom.« less

Publication Date:
Other Number(s):
mp-21981
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; YNiSn2; Ni-Sn-Y
OSTI Identifier:
1197273
DOI:
10.17188/1197273

Citation Formats

The Materials Project. Materials Data on YNiSn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197273.
The Materials Project. Materials Data on YNiSn2 by Materials Project. United States. doi:10.17188/1197273.
The Materials Project. 2020. "Materials Data on YNiSn2 by Materials Project". United States. doi:10.17188/1197273. https://www.osti.gov/servlets/purl/1197273. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1197273,
title = {Materials Data on YNiSn2 by Materials Project},
author = {The Materials Project},
abstractNote = {YNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Y–Ni bond distances ranging from 3.27–3.46 Å. There are a spread of Y–Sn bond distances ranging from 3.12–3.20 Å. In the second Y site, Y is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Y–Ni bond lengths are 3.11 Å. There are a spread of Y–Sn bond distances ranging from 3.16–3.52 Å. In the third Y site, Y is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.17 Å) and two longer (3.28 Å) Y–Ni bond lengths. There are a spread of Y–Sn bond distances ranging from 3.17–3.58 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Y and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.75 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three Y and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.50–2.77 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Y and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.66 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Y, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Y and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Y and two Ni atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to four Y and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Y, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Y and one Ni atom.},
doi = {10.17188/1197273},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: